Information card for entry 7221996

Structure parameters

• Chemical name: 2-(3-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazine
• Formula: C15 H11 N5 O2
• Calculated formula: C15 H11 N5 O2
• SMILES: C1(/NN=Cc2c1cccc2)=N/N=C/c1cc(ccc1)N(=O)=O
• Title of publication: Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group
• Authors of publication: Trzesowska-Kruszynska, Agata
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 40
• Pages of publication: 7702
• a: 14.1361 ± 0.0009 Å
• b: 3.7858 ± 0.0003 Å
• c: 24.2876 ± 0.0015 Å
• α: 90°
• β: 94.009 ± 0.006°
• γ: 90°
• Cell volume: 1296.61 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No